CAS RN: 5098-08-8
CAS Name: 2-[5-iodo-2-(1-naphthalenyl)-1H-indol-3-yl]acetic acid
OPENEYE Name: 2-[5-iodo-2-(1-naphthyl)-1H-indol-3-yl]acetic acid
IUPAC Name: 2-(5-iodo-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(5-iodanyl-2-naphthalen-1-yl-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C20H14INO2
MOLECULAR WEIGHT: 427.23513
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=C(C4=C(N3)C=CC(=C4)I)CC(=O)O
Structure:
CAS RN: 5095-02-3
CAS Name: 4-(4-butan-2-ylphenyl)thiazole
OPENEYE Name: 4-(4-sec-butylphenyl)thiazole
IUPAC Name: 4-(4-butan-2-ylphenyl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-butan-2-ylphenyl)-1,3-thiazole
MOLECULAR FORMULA: C13H15NS
MOLECULAR WEIGHT: 217.3299
SMILES: CCC(C)C1=CC=C(C=C1)C2=CSC=N2
Structure:
CAS RN: 5356-99-0
CAS Name: 3-[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-(2-fluorophenyl)-2-propenenitrile
OPENEYE Name: 3-[3-chloro-5-ethoxy-4-(p-tolylmethoxy)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
IUPAC Name: 3-[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[3-chloranyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C25H21ClFNO2
MOLECULAR WEIGHT: 421.891143
SMILES: CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2F)Cl)OCC3=CC=C(C=C3)C
Structure:
CAS RN: 5351-47-3
CAS Name: 3-(5-chloro-2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]-5-thiazolo[2,3-c][1,2,4]triazolone
OPENEYE Name: 3-(5-chloro-2-methoxy-phenyl)-6-[(3-methoxyphenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one
IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-6-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SYSTEMATIC NAME: 3-(5-chloranyl-2-methoxy-phenyl)-6-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
MOLECULAR FORMULA: C19H14ClN3O3S
MOLECULAR WEIGHT: 399.85076
SMILES: COC1=C(C=C(C=C1)Cl)C2=NN=C3N2C(=O)C(=CC4=CC(=CC=C4)OC)S3
Structure:
CAS RN: 32403-49-9
CAS Name: 1-(1-adamantyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(4-benzyloxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C25H29N3OS
MOLECULAR WEIGHT: 419.58226
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=C(C=C4)OCC5=CC=CC=C5
Structure:
CAS RN: 5314-51-2
CAS Name: 3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(2-chlorophenyl)-2-propenenitrile
OPENEYE Name: 3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(2-chlorophenyl)prop-2-enenitrile
IUPAC Name: 3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-(2-chlorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-2-(2-chlorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C22H14BrClFNO
MOLECULAR WEIGHT: 442.708063
SMILES: C1=CC=C(C(=C1)C(=CC2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C#N)Cl
Structure:
CAS RN: 6484-47-5
CAS Name: N-[(5-methyl-2-pyrimidinyl)methyl]-6-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
OPENEYE Name: N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(2-pyridyl)pyrimidin-4-amine
IUPAC Name: N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-2-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C21H18N6
MOLECULAR WEIGHT: 354.40782
SMILES: CC1=CN=C(N=C1)CNC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=N4
Structure:
CAS RN: 6529-26-6
CAS Name: 2-cyano-3-(4-cyanophenyl)-2-propenamide
OPENEYE Name: 2-cyano-3-(4-cyanophenyl)prop-2-enamide
IUPAC Name: 2-cyano-3-(4-cyanophenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(4-cyanophenyl)prop-2-enamide
MOLECULAR FORMULA: C11H7N3O
MOLECULAR WEIGHT: 197.19278
SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)N)C#N
Structure:
CAS RN: 6620-20-8
CAS Name: 6-amino-1-[3-(methylthio)phenyl]-3-(phenylmethyl)pyrimidine-2,4-dione
OPENEYE Name: 6-amino-3-benzyl-1-(3-methylsulfanylphenyl)pyrimidine-2,4-dione
IUPAC Name: 6-amino-3-benzyl-1-(3-methylsulfanylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(3-methylsulfanylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: CSC1=CC=CC(=C1)N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N
Structure:
CAS RN: 146062-45-5
CAS Name: 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
OPENEYE Name: 5-[[4-[2-(5-acetyl-2-pyridyl)ethoxy]phenyl]methyl]thiazolidine-2,4-dione
IUPAC Name: 5-[[4-[2-(5-acetylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[4-[2-(5-ethanoylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C19H18N2O4S
MOLECULAR WEIGHT: 370.42222
SMILES: CC(=O)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
Structure:
CAS RN: 5498-80-6
CAS Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-octoxyphenyl)methylideneamino]imidazolidine-2,4-dione
OPENEYE Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-octoxyphenyl)methyleneamino]imidazolidine-2,4-dione
IUPAC Name: 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-octoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[4-[bis(fluoranyl)methoxy]phenyl]-5-methyl-3-[(4-octoxyphenyl)methylideneamino]imidazolidine-2,4-dione
MOLECULAR FORMULA: C26H31F2N3O4
MOLECULAR WEIGHT: 487.538846
SMILES: CCCCCCCCOC1=CC=C(C=C1)C=NN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)OC(F)F
Structure:
CAS RN: 6476-85-3
CAS Name: 2-chloro-3-[3-(trifluoromethyl)anilino]-1-cyclohex-2-enone
OPENEYE Name: 2-chloro-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
IUPAC Name: 2-chloro-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
SYSTEMATIC NAME: 2-chloranyl-3-[[3-(trifluoromethyl)phenyl]amino]cyclohex-2-en-1-one
MOLECULAR FORMULA: C13H11ClF3NO
MOLECULAR WEIGHT: 289.68075
SMILES: C1CC(=C(C(=O)C1)Cl)NC2=CC=CC(=C2)C(F)(F)F
Structure:
CAS RN: 6476-24-0
CAS Name: 2-[[4-(trifluoromethyl)anilino]methylidene]indene-1,3-dione
OPENEYE Name: 2-[[4-(trifluoromethyl)anilino]methylene]indane-1,3-dione
IUPAC Name: 2-[[4-(trifluoromethyl)anilino]methylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[[[4-(trifluoromethyl)phenyl]amino]methylidene]indene-1,3-dione
MOLECULAR FORMULA: C17H10F3NO2
MOLECULAR WEIGHT: 317.26201
SMILES: C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=C(C=C3)C(F)(F)F)C2=O
Structure:
CAS RN: 6696-50-0
CAS Name: 1-cyclohexyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)-5-tetrazolyl]propyl]piperazine
OPENEYE Name: 1-cyclohexyl-4-[1-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-2-methyl-propyl]piperazine
IUPAC Name: 1-cyclohexyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
SYSTEMATIC NAME: 1-cyclohexyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]propyl]piperazine
MOLECULAR FORMULA: C20H38N6
MOLECULAR WEIGHT: 362.55592
SMILES: CCC(C)(C)N1C(=NN=N1)C(C(C)C)N2CCN(CC2)C3CCCCC3
Structure:
CAS RN: 6526-81-4
CAS Name: N-[[(4-chloroanilino)-oxomethyl]amino]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(4-chlorophenyl)carbamoylamino]carbamate
IUPAC Name: tert-butyl N-[(4-chlorophenyl)carbamoylamino]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-chlorophenyl)carbamoylamino]carbamate
MOLECULAR FORMULA: C12H16ClN3O3
MOLECULAR WEIGHT: 285.72674
SMILES: CC(C)(C)OC(=O)NNC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 6526-20-1
CAS Name: 1-(3-bicyclo[2.2.1]heptanylmethyl)-3-(3,4-dichlorophenyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(norbornan-2-ylmethyl)urea
IUPAC Name: 1-(3-bicyclo[2.2.1]heptanylmethyl)-3-(3,4-dichlorophenyl)urea
SYSTEMATIC NAME: 1-(3-bicyclo[2.2.1]heptanylmethyl)-3-(3,4-dichlorophenyl)urea
MOLECULAR FORMULA: C15H18Cl2N2O
MOLECULAR WEIGHT: 313.22222
SMILES: C1CC2CC1CC2CNC(=O)NC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 6673-86-5
CAS Name: 2,3,4-trichloro-5-(2,3,5,6-tetrachlorophenyl)thiophene
OPENEYE Name: 2,3,4-trichloro-5-(2,3,5,6-tetrachlorophenyl)thiophene
IUPAC Name: 2,3,4-trichloro-5-(2,3,5,6-tetrachlorophenyl)thiophene
SYSTEMATIC NAME: 2,3,4-tris(chloranyl)-5-[2,3,5,6-tetrakis(chloranyl)phenyl]thiophene
MOLECULAR FORMULA: C10HCl7S
MOLECULAR WEIGHT: 401.35094
SMILES: C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(S2)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 6673-25-2
CAS Name: triphenyl(prop-1-ynyl)silane
OPENEYE Name: triphenyl(prop-1-ynyl)silane
IUPAC Name: triphenyl(prop-1-ynyl)silane
SYSTEMATIC NAME: triphenyl(prop-1-ynyl)silane
MOLECULAR FORMULA: C21H18Si
MOLECULAR WEIGHT: 298.45312
SMILES: CC#C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 6670-80-0
CAS Name: 1-(2,6-dimethylanilino)-3-ethylurea
OPENEYE Name: 1-(2,6-dimethylanilino)-3-ethyl-urea
IUPAC Name: 1-(2,6-dimethylanilino)-3-ethylurea
SYSTEMATIC NAME: 1-[(2,6-dimethylphenyl)amino]-3-ethyl-urea
MOLECULAR FORMULA: C11H17N3O
MOLECULAR WEIGHT: 207.27218
SMILES: CCNC(=O)NNC1=C(C=CC=C1C)C
Structure:
CAS RN: 5891-98-5
CAS Name: N-(2-methoxyethyl)-5-(1-oxobutylamino)-2-(1-piperidinyl)benzamide
OPENEYE Name: 5-(butanoylamino)-N-(2-methoxyethyl)-2-(1-piperidyl)benzamide
IUPAC Name: 5-(butanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
SYSTEMATIC NAME: 5-(butanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-yl-benzamide
MOLECULAR FORMULA: C19H29N3O3
MOLECULAR WEIGHT: 347.45186
SMILES: CCCC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(=O)NCCOC
Structure:
CAS RN: 5891-37-2
CAS Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide
OPENEYE Name: N-[[4-(2,4-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-ethyl-hexanamide
IUPAC Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide
SYSTEMATIC NAME: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethyl-hexanamide
MOLECULAR FORMULA: C25H30Cl2N4OS
MOLECULAR WEIGHT: 505.5029
SMILES: CCCCC(CC)C(=O)NCC1=NN=C(N1C2=C(C=C(C=C2)Cl)Cl)SCC3=CC=CC=C3C
Structure:
CAS RN: 6040-98-8
CAS Name: 4-butyl-N-[4-[5-[(3-methylphenyl)-oxomethyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
OPENEYE Name: 4-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
IUPAC Name: 4-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
SYSTEMATIC NAME: 4-butyl-N-[4-[5-(3-methylphenyl)carbonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
MOLECULAR FORMULA: C32H32N2O3
MOLECULAR WEIGHT: 492.60808
SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC4=C(O3)CCN(C4)C(=O)C5=CC(=CC=C5)C
Structure:
CAS RN: 6618-53-7
CAS Name: 2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)-5-benzotriazolyl]benzamide
OPENEYE Name: 2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
IUPAC Name: 2,3,4,5,6-pentafluoro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
MOLECULAR FORMULA: C19H8F6N4O
MOLECULAR WEIGHT: 422.283439
SMILES: C1=CC(=CC=C1N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)F
Structure:
CAS RN: 6371-05-7
CAS Name: 2-(3,4-dimethoxyphenyl)-N-[[4-[[[[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]methyl]phenyl]methyl]-4-quinolinecarboxamide
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-N-[[4-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[[4-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N-[[4-[[[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonylamino]methyl]phenyl]methyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C44H38N4O6
MOLECULAR WEIGHT: 718.79572
SMILES: COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)CNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC(=C(C=C7)OC)OC)OC
Structure:
CAS RN: 6369-83-1
CAS Name: 2,3,4,5,6-pentafluoro-N-[4-[4-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]phenoxy]phenyl]benzamide
OPENEYE Name: 2,3,4,5,6-pentafluoro-N-[4-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenoxy]phenyl]benzamide
IUPAC Name: 2,3,4,5,6-pentafluoro-N-[4-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenoxy]phenyl]benzamide
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)-N-[4-[4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]phenoxy]phenyl]benzamide
MOLECULAR FORMULA: C26H10F10N2O3
MOLECULAR WEIGHT: 588.353232
SMILES: C1=CC(=CC=C1NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)OC3=CC=C(C=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F
Structure:
CAS RN: 5745-10-8
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]methanolate
OPENEYE Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]methanolate
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(dimethylazaniumyl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-(dimethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]methanolate
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: C[NH+](C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)[O-])C(=O)C1=O)C4=CC=CC=C4
Structure:
CAS RN: 5270-09-7
CAS Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide
OPENEYE Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(1-methyl-3-phenyl-propyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
IUPAC Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MOLECULAR FORMULA: C29H29N5O3
MOLECULAR WEIGHT: 495.57226
SMILES: CC(CCC1=CC=CC=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=C(C=C5)OC)OC)N
Structure:
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